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Chemical ID: 6718706
Chemical ID:
6718706
Name [?]:
dimethyl-[3-(2,4,5,6-tetrahydropyrimidin-1-yl)propyl]ammonium
SMILES [?]:
C[NH+](C)CCC[NH+]1CCC[NH2+]C1
InChi [?]:
InChI=1/C9H21N3/c1-11(2)6-4-8-12-7-3-5-10-9-12/h10H,3-9H2,1-2H3/p+3
InChi Info:
AuxInfo=1/1/N:1,3,9,5,10,4,8,6,12,11,2,7/E:(1,2)/rA:12cCN+CCCCN+CCCN+C/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H24N3+3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -191.48 |
Area: | 360.55 |
Solvation: | -200.494 |
Coulombic: | 210.735 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 174.307 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 3 |
XLogP: | 0.17 |
LogP (Chemaxon): | 0.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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